{"slug":"xuzhougeng-diffdock","source_name":"xuzhougeng/diffdock","name":"Xuzhougeng/Diffdock","description":"Predict small-molecule binding poses with DiffDock-L (Corso et al. 2023/2024, github.com/gcorso/DiffDock) — blind diffusion docking that places a ligand into a protein pocket without a predefined search box and ranks the samples with a learned confidence model. Reach for this skill to dock a SMILES or SDF against a PDB, to generate ranked 3D poses for a small fragment library, or to get a starting pose for downstream rescoring. DiffDock predicts geometry, not affinity.","version":1,"lift":{"pass_rate_delta_pts":59.09,"pass_rate_pct":100,"total_cases":22,"passed_cases":22,"tokens_delta_pct":0.8,"turns_delta_pct":0,"verdict":"pass","benchmark_model":"gemini-3.6-flash","grading_method":"judged","completed_at":"2026-08-14T02:48:02.506924+00:00"},"skill_score":0.9090909090909091,"benchmark_models":[{"model":"gemini-3.6-flash","headline":true,"delta_pts":59.09,"with_pass_pct":100,"without_pass_pct":40.9,"tokens_delta_pct":0.8,"turns_delta_pct":0,"total_cases":22,"cases_aggregated":22,"verdict":"pass","never_hurt":true,"completed_at":"2026-08-14T02:48:02.506924+00:00","run_id":"26ec8422-42a1-49a6-b2cd-531a06d0d002","latest_attempt":{"id":"26ec8422-42a1-49a6-b2cd-531a06d0d002","runner_model":"gemini-3.6-flash","overall_verdict":"pass","completed_at":"2026-08-14T02:48:02.506924+00:00","gate":null},"version_number":1,"is_latest_version":true,"gate":null}],"trust":{"skill_safety":"passed","safety_status":"clean","intent_verdict":"safe","content_status":"clean","indexable":true},"license":"Apache-2.0","install_count":1,"total_uses":25,"total_users":2,"manifest_hash":"3e42ffdb6f204631dd1c053d4c2bdd7edb1593c1257a542c94961ebee15f215f","install_name":"xuzhougeng-diffdock","version_id":"02ab6c58-0463-43b2-a1d9-a5470977c027","body_sha256":"3e42ffdb6f204631dd1c053d4c2bdd7edb1593c1257a542c94961ebee15f215f","render_hash":"61decd8895f7cc7c6b6c0a9e05c458899749da3220fb29ae83adb894a396bada","raw_url":"https://app.decimal.ai/s/xuzhougeng-diffdock/SKILL.md","scorecard_url":"https://app.decimal.ai/skills/xuzhougeng-diffdock"}